1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine

C14H12F3N — CID 61034165

IUPAC1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C14H12F3N/c1-8(18)9-2-4-10(5-3-9)14-12(16)6-11(15)7-13(14)17/h2-8H,18H2,1H3
InChIKeyNQWDBQUYSHYRQW-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.79
Rot. Bonds2

About 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine

1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine (PubChem CID 61034165) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
PubChem CID61034165
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C14H12F3N/c1-8(18)9-2-4-10(5-3-9)14-12(16)6-11(15)7-13(14)17/h2-8H,18H2,1H3
InChIKeyNQWDBQUYSHYRQW-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine (CID 61034165) is 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine is CC(N)c1ccc(-c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine?
The InChIKey is NQWDBQUYSHYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-8(18)9-2-4-10(5-3-9)14-12(16)6-11(15)7-13(14)17/h2-8H,18H2,1H3.
What are the key properties of 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine?
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 61034165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).